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	hartrees
Energy at 0K	-2479.544516
Energy at 298.15K	-2479.548579
HF Energy	-2479.042580
Nuclear repulsion energy	185.160905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3058	11.02
2	A₁	3049	2954	26.65
3	A₁	1468	1422	0.27
4	A₁	1327	1286	3.03
5	A₁	982	951	12.98
6	A₁	602	583	0.15
7	A₁	211	204	0.00
8	A₂	3149	3050	0.00
9	A₂	1449	1404	0.00
10	A₂	899	871	0.00
11	A₂	144	139	0.00
12	B₁	3143	3045	17.56
13	B₁	1459	1414	9.20
14	B₁	928	899	6.86
15	B₁	152	147	0.18
16	B₂	3157	3058	5.42
17	B₂	3052	2957	24.78
18	B₂	1462	1416	11.08
19	B₂	1305	1264	11.79
20	B₂	864	837	0.11
21	B₂	621	601	0.62

Atom	x (Å)	y (Å)	z (Å)
Se1	0.000	0.000	0.482
C2	0.000	1.456	-0.833
C3	0.000	-1.456	-0.833
H4	0.000	2.406	-0.277
H5	0.000	-2.406	-0.277
H6	0.904	1.401	-1.459
H7	-0.904	1.401	-1.459
H8	-0.904	-1.401	-1.459
H9	0.904	-1.401	-1.459

	Se1	C2	C3	H4	H5	H6	H7	H8	H9
Se1		1.9616	1.9616	2.5230	2.5230	2.5589	2.5589	2.5589	2.5589
C2	1.9616		2.9113	1.1012	3.9017	1.1013	1.1013	3.0607	3.0607
C3	1.9616	2.9113		3.9017	1.1012	3.0607	3.0607	1.1013	1.1013
H4	2.5230	1.1012	3.9017		4.8124	1.7964	1.7964	4.0874	4.0874
H5	2.5230	3.9017	1.1012	4.8124		4.0874	4.0874	1.7964	1.7964
H6	2.5589	1.1013	3.0607	1.7964	4.0874		1.8080	3.3339	2.8010
H7	2.5589	1.1013	3.0607	1.7964	4.0874	1.8080		2.8010	3.3339
H8	2.5589	3.0607	1.1013	4.0874	1.7964	3.3339	2.8010		1.8080
H9	2.5589	3.0607	1.1013	4.0874	1.7964	2.8010	3.3339	1.8080

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Se1	C2	H4	107.585	Se1	C2	H6	110.134
Se1	C2	H7	110.134	Se1	C3	H5	107.585
Se1	C3	H8	110.134	Se1	C3	H9	110.134
C2	Se1	C3	95.820	H4	C2	H6	109.298
H4	C2	H7	109.298	H5	C3	H8	109.298
H5	C3	H9	109.298	H6	C2	H7	110.339
H8	C3	H9	110.339

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)

using model chemistry: QCISD/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH3SeCH3 (dimethylselenide)

using model chemistry: QCISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₃SeCH₃ (dimethylselenide)